4-[2-(4-bromophenyl)-3-(1-methylpyridin-1-ium-4-yl)propyl]-1-methyl-pyridin-1-ium

Systemtic Name: 4-[2-(4-bromophenyl)-3-(1-methylpyridin-1-ium-4-yl)propyl]-1-methyl-pyridin-1-ium Openeye Name: 4-[2-(4-bromophenyl)-3-(1-methylpyridin-1-ium-4-yl)propyl]-1-methyl-pyridin-1-ium CAS Name: 4-[2-(4-bromophenyl)-3-(1-methyl-4-pyridin-1-iumyl)propyl]-1-methylpyridin-1-ium IUPAC Name: 4-[2-(4-bromophenyl)-3-(1-methylpyridin-1-ium-4-yl)propyl]-1-methylpyridin-1-ium Traditional Name: 4-[2-(4-bromophenyl)-3-(1-methylpyridin-1-ium-4-yl)propyl]-1-methyl-pyridin-1-ium Formula: C21H23BrN2+2 MolecularWeight: 383.32472

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)CC(CC2=CC=[N+](C=C2)C)C3=CC=C(C=C3)Br

Isomeric SMILES

C[N+]1=CC=C(C=C1)CC(CC2=CC=[N+](C=C2)C)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H23BrN2/c1-23-11-7-17(8-12-23)15-20(19-3-5-21(22)6-4-19)16-18-9-13-24(2)14-10-18/h3-14,20H,15-16H2,1-2H3/q+2